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CHEBI:177480 - Monatepil

ChEBI IDCHEBI:177480
ChEBI NameMonatepil
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30FN3OS
Net Charge0
Average Mass475.633
Monoisotopic Mass475.20936
SMILESO=C(CCCN1CCN(c2ccc(F)cc2)CC1)NC1c2ccccc2CSc2ccccc21
InChIInChI=1S/C28H30FN3OS/c29-22-11-13-23(14-12-22)32-18-16-31(17-19-32)15-5-10-27(33)30-28-24-7-2-1-6-21(24)20-34-26-9-4-3-8-25(26)28/h1-4,6-9,11-14,28H,5,10,15-20H2,(H,30,33)
InChIKeyWFNRNNUZFPVBSM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Monatepil (CHEBI:177480) is a dibenzothiepine (CHEBI:38924)
IUPAC Name 
N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-4-[4-(4-luorophenyl)piperazin-1-yl]butanamide
Manual XrefsDatabases
D01171KEGG DRUG
54798ChemSpider
Registry NumbersSources
CAS:103377-41-9ChemIDplus